BI-1942


SMILES CC[C@H](CC(=O)O)n1c(=O)c2ncccc2n(Cc2cn(C)c3cc(C)cc(C)c23)c1=O
InChIKey PCJVXTDIDUMIRR-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 434.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.95 5.95 5.95 ChEMBL
κ OPRK Human Opioid A pKi 5.31 5.31 5.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database